[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(p-tolylsulfamoyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-(p-tolylsulfamoyl)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-15-5-9-17(10-6-15)24-33(30,31)20-11-7-16(8-12-20)22(27)32-14-21(26)23-18-3-2-4-19(13-18)25(28)29/h2-13,24H,14H2,1H3,(H,23,26)